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Chemical structure of 3-Indoleacetic acid-D5

GC64422

3-Indoleacetic acid-D5

Also known as 2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)acetic acid

3-Indoleacetic acid-d5 (Indole-3-acetic acid-d5) is the deuterium labeled 3-Indoleacetic acid

ChemicalCAS76937-78-5MW180.21FormulaC10H4D5NO2
CAS number
76937-78-5
Molecular weight
180.21
Formula
C10H4D5NO2
Solubility
DMSO : 100 mg/mL (554·91 mM; Need ultrasonic)
InChIKey
SEOVTRFCIGRIMH-SNOLXCFTSA-N
Catalogue number
GC64422
Brand
GLPBIO
Computed properties PubChem CID 54301591 · XLogP 1.4 · TPSA 53.1 Ų · H-bond donors 2
XLogP
1.4
TPSA
53.1 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13

SMILES [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])CC(=O)O)[2H])[2H]

Computed descriptors from PubChem (CID 54301591), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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